(2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C19H19ClF2N2O — CID 1244283

IUPAC(2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H19ClF2N2O/c20-16-13-18(22)17(21)12-15(16)19(25)24-10-8-23(9-11-24)7-6-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyCGWWZVFTLIYFKW-UHFFFAOYSA-N
MW364.82 g/mol
LogP3.62
Rot. Bonds4

About (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 1244283) has the molecular formula C19H19ClF2N2O and a molecular weight of 364.82 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID1244283
Molecular FormulaC19H19ClF2N2O
Molecular Weight364.82 g/mol
Exact Mass364.12
IUPAC Name(2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H19ClF2N2O/c20-16-13-18(22)17(21)12-15(16)19(25)24-10-8-23(9-11-24)7-6-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyCGWWZVFTLIYFKW-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 1244283) is (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1cc(F)c(F)cc1Cl)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is CGWWZVFTLIYFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O/c20-16-13-18(22)17(21)12-15(16)19(25)24-10-8-23(9-11-24)7-6-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 364.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1244283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).